11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole

C50H34N6 — CID 145190422

IUPAC11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole
SMILESC1=C(c2ccccc2)CCC(c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc3)n2)=C1
InChIInChI=1S/C50H34N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-31-45(51-32-37)56-44-23-13-11-21-40(44)42-30-29-41-39-20-10-12-22-43(39)55(46(41)47(42)56)38-18-8-3-9-19-38/h1-24,26,28-32H,25,27H2
InChIKeyCJFBSLWHDPWWMZ-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.06
Rot. Bonds6

About 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole

11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole (PubChem CID 145190422) has the molecular formula C50H34N6 and a molecular weight of 718.86 g/mol. Its IUPAC name is 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole
PubChem CID145190422
Molecular FormulaC50H34N6
Molecular Weight718.86 g/mol
Exact Mass718.28
IUPAC Name11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole
SMILESC1=C(c2ccccc2)CCC(c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc3)n2)=C1
InChIInChI=1S/C50H34N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-31-45(51-32-37)56-44-23-13-11-21-40(44)42-30-29-41-39-20-10-12-22-43(39)55(46(41)47(42)56)38-18-8-3-9-19-38/h1-24,26,28-32H,25,27H2
InChIKeyCJFBSLWHDPWWMZ-UHFFFAOYSA-N
XLogP12.06
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160861876
11-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 118487928
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
CID 134427142
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
12-carbazol-9-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 121385386
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 158725620
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole
CID 90296192
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 160628676

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole (CID 145190422) is 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole is C1=C(c2ccccc2)CCC(c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc3)n2)=C1.
What is the InChIKey of 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole?
The InChIKey is CJFBSLWHDPWWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N6/c1-4-14-33(15-5-1)34-24-26-36(27-25-34)49-52-48(35-16-6-2-7-17-35)53-50(54-49)37-28-31-45(51-32-37)56-44-23-13-11-21-40(44)42-30-29-41-39-20-10-12-22-43(39)55(46(41)47(42)56)38-18-8-3-9-19-38/h1-24,26,28-32H,25,27H2.
What are the key properties of 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole?
11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole has a molecular weight of 718.86 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 145190422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).